The thermal conductivity of graphene nanoribbons (GNRs) has been investigatedusing equilibrium molecular dynamics (EMD) simulation based on Green-Kubo (GK)method to compare two interatomic potentials namely optimized Tersoff and 2nd generationReactive Empirical Bond Order (REBO). Our comparative study includes the estimation ofthermal conductivity as a function of temperature, l...

Phonons can display both wave-like and particle-like behaviour during thermal transport. While thermal transport in silicon nanomeshes has been previously interpreted by phonon wave effects due to interference with periodic structures, as well as phonon particle effects including backscattering, the dominant mechanism responsible for thermal conductivity reductions below classical predictions s...

The 2H (MoS2-type) phase of 2D transition metal dichalcogenides (TMDCs) has been extensively studied and exhibits excellent electronic and optoelectronic properties, but the high phonon thermal conductivity is detrimental to the thermoelectric performances. Here, we use first-principles methods combined with Boltzmann transport theory to calculate the electronic and phononic transport propertie...

Zhi Guo, Amit Verma, Xufei Wu, Fangyuan Sun, Austin Hickman, Takekazu Masui, Akito Kuramata, Masataka Higashiwaki, Debdeep Jena, and Tengfei Luo Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, Indiana 46556, USA Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556, USA Department of Electrical Engineering, University of Notre Dame, ...

We analyze the transport of heat along a chain of particles interacting through anharmonic potentials consisting of quartic terms in addition to harmonic quadratic terms and subject to heat reservoirs at its ends. Each particle is also subject to an impulsive shot noise with exponentially distributed waiting times whose effect is to change the sign of its velocity, thus conserving the energy of...

We theoretically investigate the phonon scattering by vacancies, including the impacts of missing mass and linkages (τ(V)(-1)) and the variation of the force constant of bonds associated with vacancies (τ(A)(-1)) by the bond-order-length-strength correlation mechanism. We find that in bulk crystals, the phonon scattering rate due to change of force constant τ(A)(-1) is about three orders of mag...

Statistical methods, and especially machine learning, have been increasingly used in nanofluid modeling. This paper presents some of the interesting and applicable methods for thermal conductivity prediction and compares them with each other according to results and errors that are defined. The thermal conductivity of nanofluids increases with the volume fraction and temperature. Machine learni...

Experimental study of effective thermal conductivity of ZnO/EG nanofluid is presented in thisresearch. The nanofluid was prepared by dispersing Zno nanoparticles in ethylene glycol using asonicator and adding surfactant. Ethylene glycol based nanofluid containing ZnO nanoparticlewith a nominal diameter of 18 nm at different solid volume fractions (very low to high) atvarious temperatures was ex...

This study was designed to experimentally measure the thermal and electrical conductivities of Aluminium Nitride/Ethylene Glycol (AlN/EG) nanofluids. Transmission electron microscopy (TEM) was used to characterize the shape of AlN nanoparticles. Nanofluids with different particle volume concentrations of 0.5%, 1%, 2%, 3%, 4%, and 5% were utilized. The thermal and electrical conductivities of the...